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	hartrees
Energy at 0K	-2649.411247
Energy at 298.15K	-2649.415187
HF Energy	-2649.300600
Nuclear repulsion energy	91.838190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3812	3812	76.25
2	A'	1171	1171	40.28
3	A'	606	606	3.95

Atom	x (Å)	y (Å)
H1	-0.923	1.681
O2	0.021	1.482
Br3	0.021	-0.387

	H1	O2	Br3
H1		0.9657	2.2733
O2	0.9657		1.8683
Br3	2.2733	1.8683

Number	Element	Mulliken
1	H	0.279
2	O	-0.436
3	Br	0.157

All results from a given calculation for HOBr (Hypobromous acid)

using model chemistry: B2PLYP/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.646	-0.249	0.000	1.665
CHELPG
AIM
ESP

	x	y	z
x	2.133	-0.237	0.000
y	-0.237	4.186	0.000
z	0.000	0.000	1.753

<r²>	41.043
(<r²>)^1/2	6.406